1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine

C15H18FNOS — CID 105147269

IUPAC1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1cc2cc(F)ccc2s1)C1CCOCC1
InChIInChI=1S/C15H18FNOS/c1-17-15(10-4-6-18-7-5-10)14-9-11-8-12(16)2-3-13(11)19-14/h2-3,8-10,15,17H,4-7H2,1H3
InChIKeySEDGUDKSTJXHAE-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.73
Rot. Bonds3

About 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine

1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 105147269) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID105147269
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1cc2cc(F)ccc2s1)C1CCOCC1
InChIInChI=1S/C15H18FNOS/c1-17-15(10-4-6-18-7-5-10)14-9-11-8-12(16)2-3-13(11)19-14/h2-3,8-10,15,17H,4-7H2,1H3
InChIKeySEDGUDKSTJXHAE-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907400
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282
5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 126853656
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79703603
1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991075
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 105147146
[(5-fluoro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105229802
1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 105087174
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 19846311
[(2-ethylcyclohexyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105309678
N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine
CID 115718255

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine (CID 105147269) is 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1cc2cc(F)ccc2s1)C1CCOCC1.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is SEDGUDKSTJXHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-17-15(10-4-6-18-7-5-10)14-9-11-8-12(16)2-3-13(11)19-14/h2-3,8-10,15,17H,4-7H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 279.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 105147269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).